USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 763 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 65:sc= -0.0437 USER MOD Set 1.2: A 96 HEM CMB :methyl 150:sc= -0.246 (180deg=-0.246) USER MOD Set 2.1: A 20 SER OG : rot -43:sc= 1.16 USER MOD Set 2.2: A 33 THR OG1 : rot 88:sc= 1.67 USER MOD Single : A 1 ASP N :NH3+ -167:sc= 1.05 (180deg=0.269!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 144:sc= 1.25 (180deg=1.05) USER MOD Single : A 6 TYR OH : rot 129:sc= 1.22 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 13 GLN : amide:sc= 1.11 K(o=1.1,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ -103:sc= 1.15 (180deg=-0.823!) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 170:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.137 K(o=-0.14,f=-1.7) USER MOD Single : A 27 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.14) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.201) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0661 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 34:sc= 1.65 USER MOD Single : A 57 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.5!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.144 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= -0.0194 (180deg=-0.116) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -129:sc= 1.2 USER MOD Single : A 80 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.9) USER MOD Single : A 85 SER OG : rot -37:sc= 0.0111 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HEM CMA :methyl -30:sc= -0.12 (180deg=-0.344) USER MOD Single : A 96 HEM CMC :methyl -30:sc= -0.954 (180deg=-4.25!) USER MOD Single : A 96 HEM CMD :methyl -30:sc= -3.4! (180deg=-4.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.318 -16.216 -11.287 1.00 0.00 N ATOM 2 CA ASP A 1 1.252 -15.080 -11.448 1.00 0.00 C ATOM 3 C ASP A 1 1.353 -15.321 -12.961 1.00 0.00 C ATOM 4 O ASP A 1 1.663 -16.440 -13.381 1.00 0.00 O ATOM 5 CB ASP A 1 2.310 -15.347 -10.336 1.00 0.00 C ATOM 6 CG ASP A 1 1.723 -15.713 -8.970 1.00 0.00 C ATOM 7 OD1 ASP A 1 0.481 -15.599 -8.847 1.00 0.00 O ATOM 8 OD2 ASP A 1 2.499 -16.216 -8.138 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.118 -16.176 -10.344 1.00 0.00 H new ATOM 0 H2 ASP A 1 -0.424 -16.161 -12.014 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.838 -17.111 -11.390 1.00 0.00 H new ATOM 0 HA ASP A 1 1.141 -14.007 -11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.965 -16.154 -10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.931 -14.458 -10.223 1.00 0.00 H new ATOM 15 N LYS A 2 0.799 -14.393 -13.746 1.00 0.00 N ATOM 16 CA LYS A 2 0.026 -14.785 -14.921 1.00 0.00 C ATOM 17 C LYS A 2 -0.074 -13.654 -15.945 1.00 0.00 C ATOM 18 O LYS A 2 0.314 -13.844 -17.093 1.00 0.00 O ATOM 19 CB LYS A 2 -1.355 -15.321 -14.468 1.00 0.00 C ATOM 20 CG LYS A 2 -2.134 -14.361 -13.543 1.00 0.00 C ATOM 21 CD LYS A 2 -3.112 -15.046 -12.568 1.00 0.00 C ATOM 22 CE LYS A 2 -4.558 -15.123 -13.089 1.00 0.00 C ATOM 23 NZ LYS A 2 -5.537 -15.058 -11.981 1.00 0.00 N ATOM 0 H LYS A 2 0.870 -13.387 -13.592 1.00 0.00 H new ATOM 0 HA LYS A 2 0.546 -15.590 -15.441 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.960 -15.527 -15.351 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.212 -16.270 -13.951 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.418 -13.777 -12.965 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.693 -13.659 -14.161 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.756 -16.055 -12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.105 -14.505 -11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.739 -14.304 -13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.697 -16.050 -13.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.501 -15.112 -12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.379 -15.854 -11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.420 -14.162 -11.466 1.00 0.00 H new ATOM 37 N ASP A 3 -0.600 -12.500 -15.524 1.00 0.00 N ATOM 38 CA ASP A 3 -0.916 -11.384 -16.407 1.00 0.00 C ATOM 39 C ASP A 3 -0.347 -10.106 -15.806 1.00 0.00 C ATOM 40 O ASP A 3 0.628 -9.536 -16.292 1.00 0.00 O ATOM 41 CB ASP A 3 -2.444 -11.319 -16.614 1.00 0.00 C ATOM 42 CG ASP A 3 -2.792 -11.097 -18.077 1.00 0.00 C ATOM 43 OD1 ASP A 3 -2.695 -12.087 -18.831 1.00 0.00 O ATOM 44 OD2 ASP A 3 -3.164 -9.950 -18.401 1.00 0.00 O ATOM 0 H ASP A 3 -0.820 -12.317 -14.545 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.463 -11.515 -17.390 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.900 -12.245 -16.266 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.861 -10.512 -16.012 1.00 0.00 H new ATOM 49 N VAL A 4 -0.950 -9.705 -14.691 1.00 0.00 N ATOM 50 CA VAL A 4 -0.529 -8.584 -13.875 1.00 0.00 C ATOM 51 C VAL A 4 0.441 -9.130 -12.817 1.00 0.00 C ATOM 52 O VAL A 4 1.163 -10.098 -13.053 1.00 0.00 O ATOM 53 CB VAL A 4 -1.769 -7.869 -13.279 1.00 0.00 C ATOM 54 CG1 VAL A 4 -1.475 -6.384 -13.012 1.00 0.00 C ATOM 55 CG2 VAL A 4 -2.994 -7.924 -14.204 1.00 0.00 C ATOM 0 H VAL A 4 -1.777 -10.174 -14.322 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.007 -7.824 -14.456 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.989 -8.403 -12.354 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.362 -5.907 -12.594 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.650 -6.298 -12.305 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.205 -5.893 -13.947 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.830 -7.407 -13.732 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.756 -7.441 -15.152 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.267 -8.964 -14.385 1.00 0.00 H new ATOM 65 N LYS A 5 0.432 -8.531 -11.628 1.00 0.00 N ATOM 66 CA LYS A 5 1.268 -8.886 -10.494 1.00 0.00 C ATOM 67 C LYS A 5 0.350 -9.238 -9.321 1.00 0.00 C ATOM 68 O LYS A 5 0.325 -8.581 -8.287 1.00 0.00 O ATOM 69 CB LYS A 5 2.284 -7.767 -10.237 1.00 0.00 C ATOM 70 CG LYS A 5 3.595 -7.869 -11.027 1.00 0.00 C ATOM 71 CD LYS A 5 3.474 -7.411 -12.494 1.00 0.00 C ATOM 72 CE LYS A 5 4.489 -6.305 -12.820 1.00 0.00 C ATOM 73 NZ LYS A 5 4.093 -4.998 -12.249 1.00 0.00 N ATOM 0 H LYS A 5 -0.190 -7.748 -11.424 1.00 0.00 H new ATOM 0 HA LYS A 5 1.877 -9.771 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.813 -6.812 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.522 -7.753 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.356 -7.267 -10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.942 -8.902 -11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.634 -8.261 -13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.464 -7.047 -12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.468 -6.587 -12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.588 -6.212 -13.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.942 -4.483 -11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.595 -4.440 -12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.464 -5.151 -11.435 1.00 0.00 H new ATOM 87 N TYR A 6 -0.466 -10.273 -9.494 1.00 0.00 N ATOM 88 CA TYR A 6 -1.315 -10.744 -8.412 1.00 0.00 C ATOM 89 C TYR A 6 -0.444 -11.321 -7.285 1.00 0.00 C ATOM 90 O TYR A 6 0.314 -12.252 -7.538 1.00 0.00 O ATOM 91 CB TYR A 6 -2.339 -11.747 -8.953 1.00 0.00 C ATOM 92 CG TYR A 6 -3.570 -11.089 -9.548 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.622 -10.728 -8.693 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.655 -10.778 -10.918 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.811 -10.192 -9.209 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.826 -10.191 -11.430 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.903 -9.895 -10.577 1.00 0.00 C ATOM 98 OH TYR A 6 -6.981 -9.210 -11.051 1.00 0.00 O ATOM 0 H TYR A 6 -0.555 -10.796 -10.365 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.881 -9.916 -7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.863 -12.366 -9.714 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.646 -12.413 -8.146 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.515 -10.864 -7.627 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.824 -10.989 -11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.652 -10.009 -8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.898 -9.967 -12.484 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.675 -8.455 -11.596 1.00 0.00 H new ATOM 108 N TYR A 7 -0.537 -10.769 -6.068 1.00 0.00 N ATOM 109 CA TYR A 7 0.206 -11.203 -4.885 1.00 0.00 C ATOM 110 C TYR A 7 -0.760 -11.633 -3.781 1.00 0.00 C ATOM 111 O TYR A 7 -1.874 -11.116 -3.690 1.00 0.00 O ATOM 112 CB TYR A 7 1.089 -10.061 -4.372 1.00 0.00 C ATOM 113 CG TYR A 7 2.305 -9.780 -5.225 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.375 -10.692 -5.219 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.409 -8.581 -5.954 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.525 -10.435 -5.981 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.570 -8.314 -6.698 1.00 0.00 C ATOM 118 CZ TYR A 7 4.608 -9.260 -6.745 1.00 0.00 C ATOM 119 OH TYR A 7 5.726 -8.999 -7.480 1.00 0.00 O ATOM 0 H TYR A 7 -1.155 -9.980 -5.877 1.00 0.00 H new ATOM 0 HA TYR A 7 0.833 -12.050 -5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.488 -9.154 -4.308 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.417 -10.298 -3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.312 -11.593 -4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.598 -7.868 -5.941 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.344 -11.139 -5.980 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.665 -7.381 -7.234 1.00 0.00 H new ATOM 0 HH TYR A 7 5.617 -8.146 -7.949 1.00 0.00 H new ATOM 129 N THR A 8 -0.335 -12.580 -2.941 1.00 0.00 N ATOM 130 CA THR A 8 -1.144 -13.154 -1.879 1.00 0.00 C ATOM 131 C THR A 8 -0.950 -12.389 -0.571 1.00 0.00 C ATOM 132 O THR A 8 0.070 -11.728 -0.367 1.00 0.00 O ATOM 133 CB THR A 8 -0.727 -14.621 -1.695 1.00 0.00 C ATOM 134 OG1 THR A 8 0.668 -14.667 -1.468 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.046 -15.465 -2.930 1.00 0.00 C ATOM 0 H THR A 8 0.605 -12.974 -2.987 1.00 0.00 H new ATOM 0 HA THR A 8 -2.198 -13.089 -2.150 1.00 0.00 H new ATOM 0 HB THR A 8 -1.284 -15.029 -0.852 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.949 -15.598 -1.347 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.735 -16.495 -2.757 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.119 -15.437 -3.122 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.512 -15.065 -3.792 1.00 0.00 H new ATOM 143 N LEU A 9 -1.932 -12.510 0.330 1.00 0.00 N ATOM 144 CA LEU A 9 -1.930 -11.823 1.605 1.00 0.00 C ATOM 145 C LEU A 9 -0.629 -12.112 2.339 1.00 0.00 C ATOM 146 O LEU A 9 0.082 -11.174 2.662 1.00 0.00 O ATOM 147 CB LEU A 9 -3.144 -12.226 2.458 1.00 0.00 C ATOM 148 CG LEU A 9 -4.498 -11.611 2.061 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.496 -10.076 2.096 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.013 -12.130 0.718 1.00 0.00 C ATOM 0 H LEU A 9 -2.754 -13.096 0.183 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.004 -10.751 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.239 -13.311 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.938 -11.956 3.494 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.196 -11.946 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.479 -9.704 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.262 -9.735 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.746 -9.697 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.971 -11.662 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.295 -11.888 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.141 -13.211 0.771 1.00 0.00 H new ATOM 162 N GLU A 10 -0.298 -13.387 2.579 1.00 0.00 N ATOM 163 CA GLU A 10 0.888 -13.740 3.353 1.00 0.00 C ATOM 164 C GLU A 10 2.143 -13.060 2.792 1.00 0.00 C ATOM 165 O GLU A 10 2.902 -12.447 3.540 1.00 0.00 O ATOM 166 CB GLU A 10 1.074 -15.265 3.417 1.00 0.00 C ATOM 167 CG GLU A 10 1.960 -15.637 4.618 1.00 0.00 C ATOM 168 CD GLU A 10 2.942 -16.751 4.291 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.469 -17.859 3.967 1.00 0.00 O ATOM 170 OE2 GLU A 10 4.159 -16.476 4.387 1.00 0.00 O ATOM 0 H GLU A 10 -0.837 -14.187 2.247 1.00 0.00 H new ATOM 0 HA GLU A 10 0.737 -13.375 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.104 -15.755 3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.530 -15.623 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.511 -14.756 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.328 -15.946 5.450 1.00 0.00 H new ATOM 177 N GLU A 11 2.345 -13.152 1.472 1.00 0.00 N ATOM 178 CA GLU A 11 3.477 -12.529 0.800 1.00 0.00 C ATOM 179 C GLU A 11 3.502 -11.036 1.143 1.00 0.00 C ATOM 180 O GLU A 11 4.471 -10.520 1.703 1.00 0.00 O ATOM 181 CB GLU A 11 3.368 -12.768 -0.715 1.00 0.00 C ATOM 182 CG GLU A 11 4.656 -12.384 -1.460 1.00 0.00 C ATOM 183 CD GLU A 11 5.514 -13.604 -1.772 1.00 0.00 C ATOM 184 OE1 GLU A 11 6.051 -14.181 -0.803 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.601 -13.941 -2.972 1.00 0.00 O ATOM 0 H GLU A 11 1.724 -13.663 0.845 1.00 0.00 H new ATOM 0 HA GLU A 11 4.415 -12.970 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.144 -13.819 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.534 -12.189 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.400 -11.872 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.230 -11.681 -0.856 1.00 0.00 H new ATOM 192 N ILE A 12 2.406 -10.335 0.856 1.00 0.00 N ATOM 193 CA ILE A 12 2.321 -8.904 1.106 1.00 0.00 C ATOM 194 C ILE A 12 2.568 -8.602 2.596 1.00 0.00 C ATOM 195 O ILE A 12 3.299 -7.675 2.930 1.00 0.00 O ATOM 196 CB ILE A 12 0.977 -8.366 0.590 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.782 -8.659 -0.910 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.919 -6.849 0.803 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.706 -8.716 -1.266 1.00 0.00 C ATOM 0 H ILE A 12 1.563 -10.740 0.449 1.00 0.00 H new ATOM 0 HA ILE A 12 3.104 -8.382 0.557 1.00 0.00 H new ATOM 0 HB ILE A 12 0.185 -8.867 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.273 -7.887 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.258 -9.606 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.034 -6.466 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.015 -6.627 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.734 -6.374 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.818 -8.924 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.188 -9.505 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.173 -7.759 -1.032 1.00 0.00 H new ATOM 211 N GLN A 13 2.024 -9.433 3.489 1.00 0.00 N ATOM 212 CA GLN A 13 2.181 -9.344 4.937 1.00 0.00 C ATOM 213 C GLN A 13 3.630 -9.603 5.360 1.00 0.00 C ATOM 214 O GLN A 13 4.035 -9.190 6.444 1.00 0.00 O ATOM 215 CB GLN A 13 1.205 -10.309 5.639 1.00 0.00 C ATOM 216 CG GLN A 13 0.586 -9.722 6.921 1.00 0.00 C ATOM 217 CD GLN A 13 -0.756 -9.011 6.697 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.510 -9.355 5.793 1.00 0.00 O ATOM 219 NE2 GLN A 13 -1.084 -8.047 7.553 1.00 0.00 N ATOM 0 H GLN A 13 1.438 -10.219 3.207 1.00 0.00 H new ATOM 0 HA GLN A 13 1.937 -8.328 5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.406 -10.574 4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.731 -11.231 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.444 -10.525 7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.290 -9.017 7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.436 -7.782 8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.983 -7.573 7.467 1.00 0.00 H new ATOM 228 N LYS A 14 4.425 -10.272 4.522 1.00 0.00 N ATOM 229 CA LYS A 14 5.857 -10.413 4.723 1.00 0.00 C ATOM 230 C LYS A 14 6.535 -9.069 4.410 1.00 0.00 C ATOM 231 O LYS A 14 7.421 -8.634 5.147 1.00 0.00 O ATOM 232 CB LYS A 14 6.400 -11.548 3.833 1.00 0.00 C ATOM 233 CG LYS A 14 7.205 -12.620 4.583 1.00 0.00 C ATOM 234 CD LYS A 14 6.310 -13.763 5.099 1.00 0.00 C ATOM 235 CE LYS A 14 7.172 -14.964 5.536 1.00 0.00 C ATOM 236 NZ LYS A 14 6.431 -16.241 5.463 1.00 0.00 N ATOM 0 H LYS A 14 4.083 -10.733 3.679 1.00 0.00 H new ATOM 0 HA LYS A 14 6.074 -10.677 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.562 -12.029 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.032 -11.114 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.968 -13.029 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.725 -12.160 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.710 -13.413 5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.615 -14.071 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.057 -15.023 4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.521 -14.806 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.143 -16.530 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.586 -16.119 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.042 -16.974 5.049 1.00 0.00 H new ATOM 250 N HIS A 15 6.111 -8.408 3.322 1.00 0.00 N ATOM 251 CA HIS A 15 6.667 -7.147 2.823 1.00 0.00 C ATOM 252 C HIS A 15 6.353 -5.949 3.734 1.00 0.00 C ATOM 253 O HIS A 15 5.630 -5.013 3.381 1.00 0.00 O ATOM 254 CB HIS A 15 6.212 -6.909 1.378 1.00 0.00 C ATOM 255 CG HIS A 15 7.060 -7.619 0.359 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.182 -7.094 -0.236 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.881 -8.885 -0.128 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.677 -8.032 -1.060 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.921 -9.140 -1.028 1.00 0.00 N ATOM 0 H HIS A 15 5.343 -8.752 2.746 1.00 0.00 H new ATOM 0 HA HIS A 15 7.753 -7.238 2.834 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.178 -7.238 1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.229 -5.839 1.171 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.083 -9.563 0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.563 -7.911 -1.666 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.074 -9.999 -1.556 1.00 0.00 H new ATOM 267 N LYS A 16 6.969 -5.970 4.913 1.00 0.00 N ATOM 268 CA LYS A 16 6.914 -4.920 5.912 1.00 0.00 C ATOM 269 C LYS A 16 8.166 -4.983 6.781 1.00 0.00 C ATOM 270 O LYS A 16 8.906 -4.007 6.880 1.00 0.00 O ATOM 271 CB LYS A 16 5.643 -5.044 6.763 1.00 0.00 C ATOM 272 CG LYS A 16 5.120 -6.482 6.944 1.00 0.00 C ATOM 273 CD LYS A 16 4.295 -6.582 8.231 1.00 0.00 C ATOM 274 CE LYS A 16 5.254 -6.790 9.415 1.00 0.00 C ATOM 275 NZ LYS A 16 4.654 -6.393 10.702 1.00 0.00 N ATOM 0 H LYS A 16 7.546 -6.759 5.206 1.00 0.00 H new ATOM 0 HA LYS A 16 6.879 -3.951 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.839 -4.618 7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.857 -4.442 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.509 -6.766 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.957 -7.180 6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.708 -5.675 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.590 -7.411 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.546 -7.839 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.163 -6.213 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.339 -6.552 11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.398 -5.385 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.801 -6.961 10.877 1.00 0.00 H new ATOM 289 N ASP A 17 8.387 -6.139 7.412 1.00 0.00 N ATOM 290 CA ASP A 17 9.470 -6.346 8.357 1.00 0.00 C ATOM 291 C ASP A 17 10.814 -6.248 7.636 1.00 0.00 C ATOM 292 O ASP A 17 11.681 -5.478 8.040 1.00 0.00 O ATOM 293 CB ASP A 17 9.281 -7.706 9.035 1.00 0.00 C ATOM 294 CG ASP A 17 10.392 -7.946 10.044 1.00 0.00 C ATOM 295 OD1 ASP A 17 10.343 -7.271 11.093 1.00 0.00 O ATOM 296 OD2 ASP A 17 11.252 -8.797 9.741 1.00 0.00 O ATOM 0 H ASP A 17 7.806 -6.966 7.274 1.00 0.00 H new ATOM 0 HA ASP A 17 9.458 -5.574 9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.312 -7.741 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.282 -8.498 8.286 1.00 0.00 H new ATOM 301 N SER A 18 10.940 -6.991 6.531 1.00 0.00 N ATOM 302 CA SER A 18 12.116 -7.042 5.673 1.00 0.00 C ATOM 303 C SER A 18 12.788 -5.676 5.499 1.00 0.00 C ATOM 304 O SER A 18 13.934 -5.491 5.902 1.00 0.00 O ATOM 305 CB SER A 18 11.692 -7.628 4.320 1.00 0.00 C ATOM 306 OG SER A 18 11.067 -8.879 4.520 1.00 0.00 O ATOM 0 H SER A 18 10.189 -7.597 6.201 1.00 0.00 H new ATOM 0 HA SER A 18 12.867 -7.675 6.146 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.009 -6.945 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.562 -7.744 3.674 1.00 0.00 H new ATOM 0 HG SER A 18 10.795 -9.251 3.655 1.00 0.00 H new ATOM 312 N LYS A 19 12.081 -4.739 4.856 1.00 0.00 N ATOM 313 CA LYS A 19 12.540 -3.387 4.546 1.00 0.00 C ATOM 314 C LYS A 19 11.511 -2.733 3.627 1.00 0.00 C ATOM 315 O LYS A 19 11.039 -1.627 3.892 1.00 0.00 O ATOM 316 CB LYS A 19 13.939 -3.382 3.883 1.00 0.00 C ATOM 317 CG LYS A 19 14.959 -2.563 4.689 1.00 0.00 C ATOM 318 CD LYS A 19 14.947 -1.094 4.237 1.00 0.00 C ATOM 319 CE LYS A 19 15.861 -0.235 5.127 1.00 0.00 C ATOM 320 NZ LYS A 19 16.262 1.025 4.463 1.00 0.00 N ATOM 0 H LYS A 19 11.132 -4.914 4.525 1.00 0.00 H new ATOM 0 HA LYS A 19 12.636 -2.826 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.296 -4.407 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.861 -2.972 2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.725 -2.625 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.957 -2.982 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.276 -1.026 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.929 -0.707 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.345 -0.005 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.752 -0.806 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.877 1.572 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.777 0.807 3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.414 1.583 4.237 1.00 0.00 H new ATOM 334 N SER A 20 11.183 -3.432 2.536 1.00 0.00 N ATOM 335 CA SER A 20 10.298 -2.920 1.507 1.00 0.00 C ATOM 336 C SER A 20 8.856 -2.880 2.022 1.00 0.00 C ATOM 337 O SER A 20 8.151 -3.886 1.974 1.00 0.00 O ATOM 338 CB SER A 20 10.439 -3.721 0.197 1.00 0.00 C ATOM 339 OG SER A 20 10.817 -2.867 -0.863 1.00 0.00 O ATOM 0 H SER A 20 11.530 -4.373 2.349 1.00 0.00 H new ATOM 0 HA SER A 20 10.588 -1.896 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.183 -4.507 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.495 -4.211 -0.041 1.00 0.00 H new ATOM 0 HG SER A 20 10.300 -2.036 -0.813 1.00 0.00 H new ATOM 345 N THR A 21 8.441 -1.723 2.537 1.00 0.00 N ATOM 346 CA THR A 21 7.101 -1.462 3.025 1.00 0.00 C ATOM 347 C THR A 21 6.092 -1.450 1.870 1.00 0.00 C ATOM 348 O THR A 21 6.031 -0.499 1.085 1.00 0.00 O ATOM 349 CB THR A 21 7.142 -0.147 3.816 1.00 0.00 C ATOM 350 OG1 THR A 21 7.814 -0.387 5.041 1.00 0.00 O ATOM 351 CG2 THR A 21 5.746 0.411 4.079 1.00 0.00 C ATOM 0 H THR A 21 9.058 -0.916 2.626 1.00 0.00 H new ATOM 0 HA THR A 21 6.761 -2.255 3.691 1.00 0.00 H new ATOM 0 HB THR A 21 7.671 0.601 3.226 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.994 0.466 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.826 1.341 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.246 0.603 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.168 -0.312 4.654 1.00 0.00 H new ATOM 359 N TRP A 22 5.287 -2.512 1.789 1.00 0.00 N ATOM 360 CA TRP A 22 4.162 -2.624 0.870 1.00 0.00 C ATOM 361 C TRP A 22 2.848 -2.355 1.598 1.00 0.00 C ATOM 362 O TRP A 22 2.807 -2.391 2.826 1.00 0.00 O ATOM 363 CB TRP A 22 4.154 -4.025 0.285 1.00 0.00 C ATOM 364 CG TRP A 22 5.186 -4.303 -0.760 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.299 -3.589 -1.054 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.137 -5.377 -1.727 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.922 -4.142 -2.153 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.242 -5.253 -2.611 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.215 -6.409 -1.969 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.416 -6.123 -3.695 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.406 -7.321 -3.022 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.509 -7.178 -3.882 1.00 0.00 C ATOM 0 H TRP A 22 5.406 -3.336 2.378 1.00 0.00 H new ATOM 0 HA TRP A 22 4.266 -1.886 0.074 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.288 -4.738 1.098 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.170 -4.213 -0.145 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.645 -2.721 -0.512 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.776 -3.777 -2.574 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.345 -6.503 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.239 -5.984 -4.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.706 -8.130 -3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.659 -7.881 -4.688 1.00 0.00 H new ATOM 383 N VAL A 23 1.771 -2.118 0.842 1.00 0.00 N ATOM 384 CA VAL A 23 0.416 -2.008 1.364 1.00 0.00 C ATOM 385 C VAL A 23 -0.598 -2.443 0.300 1.00 0.00 C ATOM 386 O VAL A 23 -0.286 -2.488 -0.890 1.00 0.00 O ATOM 387 CB VAL A 23 0.103 -0.579 1.829 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.688 -0.200 3.192 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.579 0.440 0.807 1.00 0.00 C ATOM 0 H VAL A 23 1.824 -1.996 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 23 0.341 -2.667 2.229 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.982 -0.564 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.413 0.827 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.294 -0.870 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.774 -0.286 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.346 1.445 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.656 0.344 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.077 0.263 -0.144 1.00 0.00 H new ATOM 399 N ILE A 24 -1.827 -2.725 0.743 1.00 0.00 N ATOM 400 CA ILE A 24 -2.980 -3.032 -0.084 1.00 0.00 C ATOM 401 C ILE A 24 -4.007 -1.923 0.124 1.00 0.00 C ATOM 402 O ILE A 24 -4.679 -1.889 1.156 1.00 0.00 O ATOM 403 CB ILE A 24 -3.528 -4.436 0.228 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.899 -4.674 1.699 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.490 -5.484 -0.168 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.348 -5.139 1.847 1.00 0.00 C ATOM 0 H ILE A 24 -2.047 -2.744 1.739 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.707 -3.062 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.450 -4.518 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.231 -5.422 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.752 -3.754 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.876 -6.479 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.280 -5.404 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.572 -5.318 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.573 -5.297 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.017 -4.379 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.488 -6.073 1.302 1.00 0.00 H new ATOM 418 N LEU A 25 -4.074 -0.964 -0.806 1.00 0.00 N ATOM 419 CA LEU A 25 -5.070 0.095 -0.738 1.00 0.00 C ATOM 420 C LEU A 25 -6.124 -0.219 -1.791 1.00 0.00 C ATOM 421 O LEU A 25 -5.899 -0.026 -2.985 1.00 0.00 O ATOM 422 CB LEU A 25 -4.481 1.501 -0.887 1.00 0.00 C ATOM 423 CG LEU A 25 -3.219 1.767 -0.054 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.049 3.271 0.082 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.285 1.264 1.383 1.00 0.00 C ATOM 0 H LEU A 25 -3.449 -0.905 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.518 0.114 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.247 1.671 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.243 2.229 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.415 1.248 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.157 3.485 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.946 3.716 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.922 3.692 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.350 1.496 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.112 1.750 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.440 0.185 1.384 1.00 0.00 H new ATOM 437 N HIS A 26 -7.268 -0.736 -1.346 1.00 0.00 N ATOM 438 CA HIS A 26 -8.312 -1.255 -2.208 1.00 0.00 C ATOM 439 C HIS A 26 -7.811 -2.500 -2.949 1.00 0.00 C ATOM 440 O HIS A 26 -6.847 -3.148 -2.546 1.00 0.00 O ATOM 441 CB HIS A 26 -8.825 -0.167 -3.171 1.00 0.00 C ATOM 442 CG HIS A 26 -9.055 1.173 -2.526 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.187 1.539 -1.840 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.218 2.258 -2.564 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.043 2.824 -1.490 1.00 0.00 C ATOM 446 NE2 HIS A 26 -8.868 3.314 -1.923 1.00 0.00 N ATOM 0 H HIS A 26 -7.493 -0.804 -0.354 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.162 -1.555 -1.596 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.107 -0.048 -3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.759 -0.506 -3.619 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.989 0.943 -1.635 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.234 2.290 -3.009 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.774 3.392 -0.933 1.00 0.00 H new ATOM 454 N HIS A 27 -8.472 -2.824 -4.059 1.00 0.00 N ATOM 455 CA HIS A 27 -8.266 -4.030 -4.842 1.00 0.00 C ATOM 456 C HIS A 27 -7.025 -3.879 -5.728 1.00 0.00 C ATOM 457 O HIS A 27 -7.120 -4.063 -6.938 1.00 0.00 O ATOM 458 CB HIS A 27 -9.537 -4.249 -5.685 1.00 0.00 C ATOM 459 CG HIS A 27 -10.820 -4.437 -4.903 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.642 -5.543 -4.954 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.498 -3.467 -4.209 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.779 -5.237 -4.306 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.737 -3.984 -3.833 1.00 0.00 N ATOM 0 H HIS A 27 -9.197 -2.223 -4.450 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.094 -4.893 -4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.661 -3.395 -6.351 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.386 -5.125 -6.316 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.134 -2.474 -3.991 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.614 -5.911 -4.183 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.465 -3.505 -3.304 1.00 0.00 H new ATOM 471 N LYS A 28 -5.882 -3.503 -5.144 1.00 0.00 N ATOM 472 CA LYS A 28 -4.640 -3.222 -5.854 1.00 0.00 C ATOM 473 C LYS A 28 -3.513 -2.977 -4.843 1.00 0.00 C ATOM 474 O LYS A 28 -3.726 -2.292 -3.842 1.00 0.00 O ATOM 475 CB LYS A 28 -4.825 -2.092 -6.880 1.00 0.00 C ATOM 476 CG LYS A 28 -5.531 -0.837 -6.342 1.00 0.00 C ATOM 477 CD LYS A 28 -6.201 -0.066 -7.496 1.00 0.00 C ATOM 478 CE LYS A 28 -7.724 -0.285 -7.528 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.447 0.778 -6.797 1.00 0.00 N ATOM 0 H LYS A 28 -5.798 -3.384 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.347 -4.089 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.846 -1.804 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.396 -2.478 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.279 -1.121 -5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.810 -0.194 -5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.990 0.998 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.769 -0.385 -8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.066 -0.312 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.961 -1.254 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.426 0.474 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.972 0.960 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.452 1.649 -7.366 1.00 0.00 H new ATOM 493 N VAL A 29 -2.341 -3.586 -5.068 1.00 0.00 N ATOM 494 CA VAL A 29 -1.220 -3.557 -4.133 1.00 0.00 C ATOM 495 C VAL A 29 -0.256 -2.449 -4.562 1.00 0.00 C ATOM 496 O VAL A 29 0.045 -2.301 -5.751 1.00 0.00 O ATOM 497 CB VAL A 29 -0.515 -4.929 -4.054 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.548 -4.940 -2.938 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.498 -6.076 -3.789 1.00 0.00 C ATOM 0 H VAL A 29 -2.147 -4.118 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.588 -3.345 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.046 -5.082 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.029 -5.917 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.296 -4.174 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.071 -4.737 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.953 -7.019 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.009 -5.905 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.231 -6.120 -4.594 1.00 0.00 H new ATOM 509 N TYR A 30 0.224 -1.676 -3.586 1.00 0.00 N ATOM 510 CA TYR A 30 1.136 -0.567 -3.797 1.00 0.00 C ATOM 511 C TYR A 30 2.406 -0.778 -2.976 1.00 0.00 C ATOM 512 O TYR A 30 2.335 -1.203 -1.819 1.00 0.00 O ATOM 513 CB TYR A 30 0.431 0.739 -3.420 1.00 0.00 C ATOM 514 CG TYR A 30 -0.797 1.024 -4.262 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.643 1.335 -5.621 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.087 0.954 -3.712 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.763 1.616 -6.418 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.191 1.364 -4.478 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.026 1.713 -5.825 1.00 0.00 C ATOM 520 OH TYR A 30 -4.055 2.289 -6.507 1.00 0.00 O ATOM 0 H TYR A 30 -0.021 -1.813 -2.605 1.00 0.00 H new ATOM 0 HA TYR A 30 1.426 -0.511 -4.846 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.141 0.697 -2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.134 1.566 -3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.345 1.358 -6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.230 0.587 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.651 1.757 -7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.171 1.410 -4.027 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.863 2.275 -5.953 1.00 0.00 H new ATOM 530 N ASP A 31 3.559 -0.473 -3.580 1.00 0.00 N ATOM 531 CA ASP A 31 4.841 -0.419 -2.887 1.00 0.00 C ATOM 532 C ASP A 31 5.107 1.034 -2.527 1.00 0.00 C ATOM 533 O ASP A 31 5.043 1.894 -3.403 1.00 0.00 O ATOM 534 CB ASP A 31 5.959 -0.956 -3.785 1.00 0.00 C ATOM 535 CG ASP A 31 7.340 -0.816 -3.155 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.417 -0.397 -1.978 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.319 -1.156 -3.846 1.00 0.00 O ATOM 0 H ASP A 31 3.624 -0.255 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 31 4.813 -1.037 -1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.770 -2.007 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.943 -0.424 -4.736 1.00 0.00 H new ATOM 542 N LEU A 32 5.388 1.319 -1.256 1.00 0.00 N ATOM 543 CA LEU A 32 5.649 2.672 -0.795 1.00 0.00 C ATOM 544 C LEU A 32 7.013 2.744 -0.099 1.00 0.00 C ATOM 545 O LEU A 32 7.289 3.698 0.628 1.00 0.00 O ATOM 546 CB LEU A 32 4.476 3.115 0.090 1.00 0.00 C ATOM 547 CG LEU A 32 3.111 2.990 -0.623 1.00 0.00 C ATOM 548 CD1 LEU A 32 1.987 3.232 0.374 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.895 3.944 -1.808 1.00 0.00 C ATOM 0 H LEU A 32 5.440 0.614 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 32 5.712 3.369 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.463 2.512 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.628 4.150 0.396 1.00 0.00 H new ATOM 0 HG LEU A 32 3.106 1.978 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.026 3.143 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.045 2.494 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.084 4.233 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.907 3.774 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.968 4.975 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.656 3.760 -2.566 1.00 0.00 H new ATOM 561 N THR A 33 7.899 1.778 -0.368 1.00 0.00 N ATOM 562 CA THR A 33 9.235 1.694 0.211 1.00 0.00 C ATOM 563 C THR A 33 9.991 3.018 0.099 1.00 0.00 C ATOM 564 O THR A 33 10.507 3.531 1.090 1.00 0.00 O ATOM 565 CB THR A 33 9.994 0.541 -0.463 1.00 0.00 C ATOM 566 OG1 THR A 33 9.301 -0.663 -0.218 1.00 0.00 O ATOM 567 CG2 THR A 33 11.424 0.403 0.068 1.00 0.00 C ATOM 0 H THR A 33 7.696 1.014 -1.013 1.00 0.00 H new ATOM 0 HA THR A 33 9.150 1.491 1.278 1.00 0.00 H new ATOM 0 HB THR A 33 10.052 0.756 -1.530 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.630 -0.802 -0.918 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.922 -0.425 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.973 1.326 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.397 0.210 1.140 1.00 0.00 H new ATOM 575 N LYS A 34 10.062 3.576 -1.111 1.00 0.00 N ATOM 576 CA LYS A 34 10.745 4.839 -1.376 1.00 0.00 C ATOM 577 C LYS A 34 9.777 6.024 -1.303 1.00 0.00 C ATOM 578 O LYS A 34 10.111 7.107 -1.775 1.00 0.00 O ATOM 579 CB LYS A 34 11.424 4.748 -2.749 1.00 0.00 C ATOM 580 CG LYS A 34 12.686 3.872 -2.690 1.00 0.00 C ATOM 581 CD LYS A 34 13.935 4.764 -2.649 1.00 0.00 C ATOM 582 CE LYS A 34 15.219 3.924 -2.607 1.00 0.00 C ATOM 583 NZ LYS A 34 16.431 4.766 -2.679 1.00 0.00 N ATOM 0 H LYS A 34 9.642 3.158 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 34 11.501 5.012 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.725 4.335 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.688 5.748 -3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.655 3.232 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.725 3.215 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.950 5.412 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.893 5.412 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.239 3.337 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.218 3.218 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.276 4.161 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.425 5.307 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.446 5.423 -1.873 1.00 0.00 H new ATOM 597 N PHE A 35 8.591 5.834 -0.717 1.00 0.00 N ATOM 598 CA PHE A 35 7.591 6.882 -0.584 1.00 0.00 C ATOM 599 C PHE A 35 7.445 7.311 0.873 1.00 0.00 C ATOM 600 O PHE A 35 6.800 8.313 1.146 1.00 0.00 O ATOM 601 CB PHE A 35 6.268 6.399 -1.176 1.00 0.00 C ATOM 602 CG PHE A 35 5.160 7.431 -1.220 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.348 8.652 -1.893 1.00 0.00 C ATOM 604 CD2 PHE A 35 3.934 7.174 -0.581 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.294 9.572 -1.998 1.00 0.00 C ATOM 606 CE2 PHE A 35 2.870 8.076 -0.713 1.00 0.00 C ATOM 607 CZ PHE A 35 3.049 9.278 -1.419 1.00 0.00 C ATOM 0 H PHE A 35 8.302 4.940 -0.321 1.00 0.00 H new ATOM 0 HA PHE A 35 7.911 7.764 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.451 6.044 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.921 5.543 -0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.308 8.882 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.812 6.280 0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.440 10.504 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.911 7.847 -0.272 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.230 9.975 -1.516 1.00 0.00 H new ATOM 617 N LEU A 36 8.052 6.582 1.811 1.00 0.00 N ATOM 618 CA LEU A 36 7.961 6.863 3.233 1.00 0.00 C ATOM 619 C LEU A 36 8.237 8.345 3.545 1.00 0.00 C ATOM 620 O LEU A 36 7.337 9.052 3.994 1.00 0.00 O ATOM 621 CB LEU A 36 8.897 5.900 3.972 1.00 0.00 C ATOM 622 CG LEU A 36 8.467 4.419 3.948 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.350 3.601 4.902 1.00 0.00 C ATOM 624 CD2 LEU A 36 6.997 4.200 4.328 1.00 0.00 C ATOM 0 H LEU A 36 8.628 5.769 1.594 1.00 0.00 H new ATOM 0 HA LEU A 36 6.943 6.695 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.893 5.980 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.977 6.222 5.010 1.00 0.00 H new ATOM 0 HG LEU A 36 8.589 4.087 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.040 2.556 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.391 3.677 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.246 3.988 5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.766 3.135 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.823 4.573 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.356 4.736 3.628 1.00 0.00 H new ATOM 636 N GLU A 37 9.448 8.841 3.273 1.00 0.00 N ATOM 637 CA GLU A 37 9.762 10.253 3.479 1.00 0.00 C ATOM 638 C GLU A 37 8.985 11.152 2.505 1.00 0.00 C ATOM 639 O GLU A 37 8.480 12.200 2.896 1.00 0.00 O ATOM 640 CB GLU A 37 11.278 10.485 3.348 1.00 0.00 C ATOM 641 CG GLU A 37 11.963 10.612 4.716 1.00 0.00 C ATOM 642 CD GLU A 37 12.007 9.285 5.458 1.00 0.00 C ATOM 643 OE1 GLU A 37 12.974 8.534 5.209 1.00 0.00 O ATOM 644 OE2 GLU A 37 11.066 9.039 6.239 1.00 0.00 O ATOM 0 H GLU A 37 10.223 8.285 2.911 1.00 0.00 H new ATOM 0 HA GLU A 37 9.452 10.524 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.724 9.659 2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.457 11.390 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.978 10.985 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.432 11.348 5.320 1.00 0.00 H new ATOM 651 N GLU A 38 8.941 10.764 1.226 1.00 0.00 N ATOM 652 CA GLU A 38 8.350 11.563 0.150 1.00 0.00 C ATOM 653 C GLU A 38 6.886 11.928 0.445 1.00 0.00 C ATOM 654 O GLU A 38 6.455 13.048 0.179 1.00 0.00 O ATOM 655 CB GLU A 38 8.485 10.801 -1.182 1.00 0.00 C ATOM 656 CG GLU A 38 9.584 11.348 -2.109 1.00 0.00 C ATOM 657 CD GLU A 38 9.006 12.188 -3.245 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.152 13.048 -2.942 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.416 11.937 -4.398 1.00 0.00 O ATOM 0 H GLU A 38 9.321 9.873 0.906 1.00 0.00 H new ATOM 0 HA GLU A 38 8.892 12.506 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.693 9.752 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.531 10.837 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.280 11.953 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.154 10.517 -2.526 1.00 0.00 H new ATOM 666 N HIS A 39 6.115 10.973 0.970 1.00 0.00 N ATOM 667 CA HIS A 39 4.694 11.106 1.253 1.00 0.00 C ATOM 668 C HIS A 39 4.389 12.419 1.986 1.00 0.00 C ATOM 669 O HIS A 39 4.802 12.565 3.140 1.00 0.00 O ATOM 670 CB HIS A 39 4.242 9.899 2.079 1.00 0.00 C ATOM 671 CG HIS A 39 2.817 9.954 2.573 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.443 9.817 3.884 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.671 9.972 1.822 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.106 9.744 3.922 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.584 9.812 2.685 1.00 0.00 N ATOM 0 H HIS A 39 6.482 10.054 1.217 1.00 0.00 H new ATOM 0 HA HIS A 39 4.143 11.134 0.313 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.366 9.000 1.476 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.904 9.800 2.939 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.070 9.778 4.687 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.617 10.089 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.524 9.644 4.827 1.00 0.00 H new ATOM 683 N PRO A 40 3.652 13.360 1.361 1.00 0.00 N ATOM 684 CA PRO A 40 3.296 14.636 1.966 1.00 0.00 C ATOM 685 C PRO A 40 2.290 14.393 3.093 1.00 0.00 C ATOM 686 O PRO A 40 1.086 14.582 2.935 1.00 0.00 O ATOM 687 CB PRO A 40 2.729 15.502 0.836 1.00 0.00 C ATOM 688 CG PRO A 40 2.231 14.491 -0.189 1.00 0.00 C ATOM 689 CD PRO A 40 3.119 13.265 0.010 1.00 0.00 C ATOM 0 HA PRO A 40 4.146 15.146 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.921 16.142 1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.492 16.156 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.180 14.249 -0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.316 14.881 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.547 12.346 -0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.924 13.245 -0.725 1.00 0.00 H new ATOM 697 N GLY A 41 2.811 13.938 4.229 1.00 0.00 N ATOM 698 CA GLY A 41 2.037 13.436 5.345 1.00 0.00 C ATOM 699 C GLY A 41 2.939 12.663 6.302 1.00 0.00 C ATOM 700 O GLY A 41 2.739 12.744 7.511 1.00 0.00 O ATOM 0 H GLY A 41 3.817 13.910 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.562 14.265 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.239 12.789 4.982 1.00 0.00 H new ATOM 704 N GLY A 42 3.943 11.933 5.785 1.00 0.00 N ATOM 705 CA GLY A 42 4.931 11.287 6.640 1.00 0.00 C ATOM 706 C GLY A 42 5.247 9.847 6.309 1.00 0.00 C ATOM 707 O GLY A 42 4.500 9.192 5.587 1.00 0.00 O ATOM 0 H GLY A 42 4.084 11.781 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.856 11.862 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.578 11.334 7.670 1.00 0.00 H new ATOM 711 N GLU A 43 6.287 9.330 6.968 1.00 0.00 N ATOM 712 CA GLU A 43 6.596 7.917 6.945 1.00 0.00 C ATOM 713 C GLU A 43 5.716 7.197 7.974 1.00 0.00 C ATOM 714 O GLU A 43 5.097 6.198 7.637 1.00 0.00 O ATOM 715 CB GLU A 43 8.091 7.721 7.298 1.00 0.00 C ATOM 716 CG GLU A 43 8.567 6.256 7.469 1.00 0.00 C ATOM 717 CD GLU A 43 8.698 5.719 8.892 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.285 6.428 9.830 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.226 4.585 9.012 1.00 0.00 O ATOM 0 H GLU A 43 6.932 9.887 7.529 1.00 0.00 H new ATOM 0 HA GLU A 43 6.403 7.505 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.691 8.187 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.298 8.259 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.873 5.612 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.537 6.159 6.982 1.00 0.00 H new ATOM 726 N GLU A 44 5.648 7.685 9.221 1.00 0.00 N ATOM 727 CA GLU A 44 5.125 6.932 10.361 1.00 0.00 C ATOM 728 C GLU A 44 3.727 6.411 10.070 1.00 0.00 C ATOM 729 O GLU A 44 3.525 5.201 10.040 1.00 0.00 O ATOM 730 CB GLU A 44 5.194 7.772 11.645 1.00 0.00 C ATOM 731 CG GLU A 44 5.149 6.867 12.886 1.00 0.00 C ATOM 732 CD GLU A 44 5.002 7.674 14.170 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.770 8.649 14.321 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.117 7.312 14.974 1.00 0.00 O ATOM 0 H GLU A 44 5.959 8.625 9.465 1.00 0.00 H new ATOM 0 HA GLU A 44 5.754 6.057 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.111 8.362 11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.362 8.476 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.316 6.170 12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.060 6.270 12.934 1.00 0.00 H new ATOM 741 N VAL A 45 2.772 7.299 9.781 1.00 0.00 N ATOM 742 CA VAL A 45 1.421 6.920 9.452 1.00 0.00 C ATOM 743 C VAL A 45 1.393 5.878 8.320 1.00 0.00 C ATOM 744 O VAL A 45 0.594 4.949 8.336 1.00 0.00 O ATOM 745 CB VAL A 45 0.646 8.212 9.151 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.075 8.906 7.850 1.00 0.00 C ATOM 747 CG2 VAL A 45 -0.826 7.896 9.135 1.00 0.00 C ATOM 0 H VAL A 45 2.930 8.307 9.772 1.00 0.00 H new ATOM 0 HA VAL A 45 0.930 6.415 10.284 1.00 0.00 H new ATOM 0 HB VAL A 45 0.877 8.927 9.941 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.483 9.810 7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.131 9.170 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.916 8.232 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.391 8.804 8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.030 7.153 8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.124 7.502 10.107 1.00 0.00 H new ATOM 757 N LEU A 46 2.305 6.001 7.357 1.00 0.00 N ATOM 758 CA LEU A 46 2.444 5.096 6.232 1.00 0.00 C ATOM 759 C LEU A 46 2.890 3.718 6.715 1.00 0.00 C ATOM 760 O LEU A 46 2.305 2.695 6.362 1.00 0.00 O ATOM 761 CB LEU A 46 3.495 5.720 5.292 1.00 0.00 C ATOM 762 CG LEU A 46 3.190 5.624 3.806 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.075 4.157 3.409 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.943 6.437 3.448 1.00 0.00 C ATOM 0 H LEU A 46 2.986 6.760 7.344 1.00 0.00 H new ATOM 0 HA LEU A 46 1.496 4.960 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.610 6.772 5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.455 5.238 5.479 1.00 0.00 H new ATOM 0 HG LEU A 46 4.008 6.061 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.856 4.084 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.015 3.648 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.272 3.688 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.747 6.351 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.088 6.056 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.105 7.484 3.704 1.00 0.00 H new ATOM 776 N ARG A 47 3.955 3.703 7.514 1.00 0.00 N ATOM 777 CA ARG A 47 4.595 2.496 7.985 1.00 0.00 C ATOM 778 C ARG A 47 3.833 1.864 9.154 1.00 0.00 C ATOM 779 O ARG A 47 4.126 0.738 9.545 1.00 0.00 O ATOM 780 CB ARG A 47 6.047 2.816 8.357 1.00 0.00 C ATOM 781 CG ARG A 47 6.886 1.548 8.184 1.00 0.00 C ATOM 782 CD ARG A 47 7.853 1.319 9.347 1.00 0.00 C ATOM 783 NE ARG A 47 9.152 1.931 9.060 1.00 0.00 N ATOM 784 CZ ARG A 47 10.155 1.308 8.430 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.934 0.129 7.831 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.367 1.867 8.412 1.00 0.00 N ATOM 0 H ARG A 47 4.401 4.555 7.855 1.00 0.00 H new ATOM 0 HA ARG A 47 4.587 1.754 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.433 3.614 7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.105 3.170 9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.223 0.688 8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.451 1.615 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.438 1.743 10.262 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.978 0.250 9.519 1.00 0.00 H new ATOM 0 HE ARG A 47 9.302 2.894 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.004 -0.290 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.696 -0.349 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.523 2.762 8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.137 1.399 7.934 1.00 0.00 H new ATOM 800 N GLU A 48 2.872 2.608 9.699 1.00 0.00 N ATOM 801 CA GLU A 48 2.096 2.287 10.883 1.00 0.00 C ATOM 802 C GLU A 48 1.538 0.874 10.800 1.00 0.00 C ATOM 803 O GLU A 48 1.778 0.049 11.680 1.00 0.00 O ATOM 804 CB GLU A 48 0.998 3.352 11.044 1.00 0.00 C ATOM 805 CG GLU A 48 0.759 3.749 12.499 1.00 0.00 C ATOM 806 CD GLU A 48 0.048 2.647 13.274 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.899 2.076 12.685 1.00 0.00 O ATOM 808 OE2 GLU A 48 0.451 2.409 14.431 1.00 0.00 O ATOM 0 H GLU A 48 2.602 3.505 9.296 1.00 0.00 H new ATOM 0 HA GLU A 48 2.729 2.305 11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.273 4.238 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.068 2.974 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.713 3.973 12.977 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.163 4.661 12.534 1.00 0.00 H new ATOM 815 N GLN A 49 0.848 0.590 9.694 1.00 0.00 N ATOM 816 CA GLN A 49 0.377 -0.755 9.430 1.00 0.00 C ATOM 817 C GLN A 49 1.446 -1.463 8.607 1.00 0.00 C ATOM 818 O GLN A 49 2.151 -2.339 9.107 1.00 0.00 O ATOM 819 CB GLN A 49 -0.992 -0.692 8.736 1.00 0.00 C ATOM 820 CG GLN A 49 -2.101 -0.388 9.758 1.00 0.00 C ATOM 821 CD GLN A 49 -2.458 -1.588 10.638 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.911 -2.677 10.487 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.387 -1.404 11.572 1.00 0.00 N ATOM 0 H GLN A 49 0.608 1.274 8.976 1.00 0.00 H new ATOM 0 HA GLN A 49 0.224 -1.326 10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.980 0.077 7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.198 -1.640 8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.783 0.438 10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.994 -0.057 9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.828 -0.491 11.680 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.658 -2.176 12.181 1.00 0.00 H new ATOM 832 N ALA A 50 1.574 -1.040 7.346 1.00 0.00 N ATOM 833 CA ALA A 50 2.405 -1.685 6.340 1.00 0.00 C ATOM 834 C ALA A 50 2.097 -3.184 6.179 1.00 0.00 C ATOM 835 O ALA A 50 1.358 -3.797 6.943 1.00 0.00 O ATOM 836 CB ALA A 50 3.880 -1.406 6.629 1.00 0.00 C ATOM 0 H ALA A 50 1.087 -0.216 6.993 1.00 0.00 H new ATOM 0 HA ALA A 50 2.163 -1.249 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.497 -1.891 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.058 -0.331 6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.138 -1.797 7.613 1.00 0.00 H new ATOM 842 N GLY A 51 2.634 -3.787 5.121 1.00 0.00 N ATOM 843 CA GLY A 51 2.409 -5.190 4.817 1.00 0.00 C ATOM 844 C GLY A 51 0.976 -5.480 4.381 1.00 0.00 C ATOM 845 O GLY A 51 0.577 -6.637 4.305 1.00 0.00 O ATOM 0 H GLY A 51 3.238 -3.311 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.094 -5.500 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.644 -5.790 5.696 1.00 0.00 H new ATOM 849 N GLY A 52 0.190 -4.444 4.100 1.00 0.00 N ATOM 850 CA GLY A 52 -1.217 -4.566 3.817 1.00 0.00 C ATOM 851 C GLY A 52 -1.962 -3.612 4.734 1.00 0.00 C ATOM 852 O GLY A 52 -1.409 -2.592 5.144 1.00 0.00 O ATOM 0 H GLY A 52 0.530 -3.483 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.418 -4.327 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.551 -5.591 3.979 1.00 0.00 H new ATOM 856 N ASP A 53 -3.214 -3.970 5.011 1.00 0.00 N ATOM 857 CA ASP A 53 -4.102 -3.416 6.024 1.00 0.00 C ATOM 858 C ASP A 53 -3.997 -1.902 6.200 1.00 0.00 C ATOM 859 O ASP A 53 -4.023 -1.398 7.320 1.00 0.00 O ATOM 860 CB ASP A 53 -3.919 -4.187 7.341 1.00 0.00 C ATOM 861 CG ASP A 53 -4.205 -5.673 7.173 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.363 -5.985 6.823 1.00 0.00 O ATOM 863 OD2 ASP A 53 -3.253 -6.466 7.347 1.00 0.00 O ATOM 0 H ASP A 53 -3.669 -4.718 4.487 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.123 -3.556 5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.899 -4.052 7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.583 -3.773 8.100 1.00 0.00 H new ATOM 868 N ALA A 54 -3.931 -1.161 5.088 1.00 0.00 N ATOM 869 CA ALA A 54 -3.822 0.283 5.112 1.00 0.00 C ATOM 870 C ALA A 54 -4.960 0.936 4.329 1.00 0.00 C ATOM 871 O ALA A 54 -5.042 2.161 4.323 1.00 0.00 O ATOM 872 CB ALA A 54 -2.448 0.664 4.572 1.00 0.00 C ATOM 0 H ALA A 54 -3.953 -1.557 4.148 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.916 0.653 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.342 1.749 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.675 0.219 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.344 0.297 3.551 1.00 0.00 H new ATOM 878 N THR A 55 -5.849 0.158 3.689 1.00 0.00 N ATOM 879 CA THR A 55 -7.020 0.733 3.029 1.00 0.00 C ATOM 880 C THR A 55 -7.821 1.535 4.052 1.00 0.00 C ATOM 881 O THR A 55 -8.083 2.714 3.837 1.00 0.00 O ATOM 882 CB THR A 55 -7.919 -0.336 2.379 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.221 -1.126 1.441 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.063 0.337 1.609 1.00 0.00 C ATOM 0 H THR A 55 -5.776 -0.857 3.618 1.00 0.00 H new ATOM 0 HA THR A 55 -6.667 1.379 2.225 1.00 0.00 H new ATOM 0 HB THR A 55 -8.283 -0.962 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.296 -1.248 1.740 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.693 -0.426 1.153 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.660 0.938 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.650 0.979 0.831 1.00 0.00 H new ATOM 892 N GLU A 56 -8.182 0.880 5.163 1.00 0.00 N ATOM 893 CA GLU A 56 -8.972 1.466 6.237 1.00 0.00 C ATOM 894 C GLU A 56 -8.353 2.813 6.624 1.00 0.00 C ATOM 895 O GLU A 56 -8.992 3.854 6.546 1.00 0.00 O ATOM 896 CB GLU A 56 -9.023 0.475 7.419 1.00 0.00 C ATOM 897 CG GLU A 56 -10.277 0.643 8.291 1.00 0.00 C ATOM 898 CD GLU A 56 -11.474 -0.143 7.757 1.00 0.00 C ATOM 899 OE1 GLU A 56 -11.583 -0.252 6.516 1.00 0.00 O ATOM 900 OE2 GLU A 56 -12.249 -0.648 8.598 1.00 0.00 O ATOM 0 H GLU A 56 -7.924 -0.091 5.337 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.999 1.652 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.990 -0.544 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.136 0.611 8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.055 0.315 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.537 1.700 8.347 1.00 0.00 H new ATOM 907 N ASN A 57 -7.064 2.779 6.965 1.00 0.00 N ATOM 908 CA ASN A 57 -6.287 3.925 7.425 1.00 0.00 C ATOM 909 C ASN A 57 -6.249 5.043 6.369 1.00 0.00 C ATOM 910 O ASN A 57 -6.445 6.218 6.667 1.00 0.00 O ATOM 911 CB ASN A 57 -4.870 3.429 7.782 1.00 0.00 C ATOM 912 CG ASN A 57 -4.353 3.927 9.131 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.817 4.923 9.670 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.368 3.223 9.689 1.00 0.00 N ATOM 0 H ASN A 57 -6.515 1.920 6.926 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.757 4.360 8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.869 2.339 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.179 3.746 7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.982 3.510 10.588 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.001 2.397 9.217 1.00 0.00 H new ATOM 921 N PHE A 58 -5.986 4.681 5.111 1.00 0.00 N ATOM 922 CA PHE A 58 -5.957 5.616 3.992 1.00 0.00 C ATOM 923 C PHE A 58 -7.325 6.285 3.777 1.00 0.00 C ATOM 924 O PHE A 58 -7.387 7.504 3.583 1.00 0.00 O ATOM 925 CB PHE A 58 -5.456 4.872 2.744 1.00 0.00 C ATOM 926 CG PHE A 58 -5.684 5.566 1.416 1.00 0.00 C ATOM 927 CD1 PHE A 58 -6.922 5.414 0.778 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.668 6.307 0.784 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.190 6.096 -0.415 1.00 0.00 C ATOM 930 CE2 PHE A 58 -4.904 6.911 -0.465 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.178 6.829 -1.053 1.00 0.00 C ATOM 0 H PHE A 58 -5.785 3.718 4.841 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.268 6.432 4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.387 4.693 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.941 3.896 2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.673 4.768 1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.704 6.412 1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.180 6.058 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.108 7.437 -0.971 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.377 7.327 -1.990 1.00 0.00 H new ATOM 941 N GLU A 59 -8.409 5.497 3.788 1.00 0.00 N ATOM 942 CA GLU A 59 -9.767 5.982 3.549 1.00 0.00 C ATOM 943 C GLU A 59 -10.314 6.718 4.776 1.00 0.00 C ATOM 944 O GLU A 59 -11.182 7.573 4.632 1.00 0.00 O ATOM 945 CB GLU A 59 -10.718 4.842 3.139 1.00 0.00 C ATOM 946 CG GLU A 59 -10.689 4.471 1.644 1.00 0.00 C ATOM 947 CD GLU A 59 -11.141 5.590 0.700 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.095 6.312 1.044 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.571 5.692 -0.411 1.00 0.00 O ATOM 0 H GLU A 59 -8.362 4.494 3.966 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.713 6.686 2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.469 3.955 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.736 5.125 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.675 4.175 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.327 3.601 1.487 1.00 0.00 H new ATOM 956 N ASP A 60 -9.804 6.415 5.973 1.00 0.00 N ATOM 957 CA ASP A 60 -10.130 7.149 7.191 1.00 0.00 C ATOM 958 C ASP A 60 -9.918 8.648 6.960 1.00 0.00 C ATOM 959 O ASP A 60 -10.819 9.460 7.162 1.00 0.00 O ATOM 960 CB ASP A 60 -9.268 6.648 8.353 1.00 0.00 C ATOM 961 CG ASP A 60 -9.729 7.279 9.657 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.676 6.722 10.250 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.141 8.320 10.019 1.00 0.00 O ATOM 0 H ASP A 60 -9.149 5.647 6.121 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.176 6.981 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.334 5.562 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.222 6.893 8.172 1.00 0.00 H new ATOM 968 N VAL A 61 -8.731 8.995 6.453 1.00 0.00 N ATOM 969 CA VAL A 61 -8.433 10.344 5.991 1.00 0.00 C ATOM 970 C VAL A 61 -9.102 10.612 4.636 1.00 0.00 C ATOM 971 O VAL A 61 -9.470 11.747 4.338 1.00 0.00 O ATOM 972 CB VAL A 61 -6.910 10.567 5.961 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.559 11.970 5.446 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.328 10.389 7.370 1.00 0.00 C ATOM 0 H VAL A 61 -7.952 8.344 6.353 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.850 11.069 6.690 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.480 9.831 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.476 12.094 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.946 12.094 4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.005 12.720 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.250 10.548 7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.784 11.112 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.536 9.380 7.725 1.00 0.00 H new ATOM 984 N GLY A 62 -9.239 9.595 3.783 1.00 0.00 N ATOM 985 CA GLY A 62 -10.004 9.687 2.543 1.00 0.00 C ATOM 986 C GLY A 62 -9.082 9.976 1.367 1.00 0.00 C ATOM 987 O GLY A 62 -9.161 9.301 0.343 1.00 0.00 O ATOM 0 H GLY A 62 -8.818 8.679 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.541 8.755 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.752 10.475 2.628 1.00 0.00 H new ATOM 991 N HIS A 63 -8.211 10.977 1.547 1.00 0.00 N ATOM 992 CA HIS A 63 -7.267 11.486 0.555 1.00 0.00 C ATOM 993 C HIS A 63 -7.970 12.202 -0.600 1.00 0.00 C ATOM 994 O HIS A 63 -9.155 11.989 -0.858 1.00 0.00 O ATOM 995 CB HIS A 63 -6.350 10.381 0.016 1.00 0.00 C ATOM 996 CG HIS A 63 -5.292 9.938 0.980 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.452 9.146 2.095 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.964 10.232 0.855 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.228 8.984 2.629 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.280 9.613 1.900 1.00 0.00 N ATOM 0 H HIS A 63 -8.146 11.476 2.434 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.649 12.218 1.075 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.959 9.520 -0.258 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.870 10.735 -0.896 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.327 8.758 2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.520 10.839 0.080 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.028 8.421 3.529 1.00 0.00 H new ATOM 1008 N SER A 64 -7.232 13.058 -1.316 1.00 0.00 N ATOM 1009 CA SER A 64 -7.737 13.626 -2.555 1.00 0.00 C ATOM 1010 C SER A 64 -7.656 12.600 -3.690 1.00 0.00 C ATOM 1011 O SER A 64 -7.117 11.501 -3.546 1.00 0.00 O ATOM 1012 CB SER A 64 -6.981 14.908 -2.917 1.00 0.00 C ATOM 1013 OG SER A 64 -7.672 15.570 -3.966 1.00 0.00 O ATOM 0 H SER A 64 -6.295 13.365 -1.057 1.00 0.00 H new ATOM 0 HA SER A 64 -8.785 13.888 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.905 15.559 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.963 14.670 -3.227 1.00 0.00 H new ATOM 0 HG SER A 64 -7.196 16.393 -4.203 1.00 0.00 H new ATOM 1019 N THR A 65 -8.167 12.992 -4.856 1.00 0.00 N ATOM 1020 CA THR A 65 -8.104 12.166 -6.057 1.00 0.00 C ATOM 1021 C THR A 65 -6.678 12.158 -6.611 1.00 0.00 C ATOM 1022 O THR A 65 -6.246 11.160 -7.192 1.00 0.00 O ATOM 1023 CB THR A 65 -9.166 12.599 -7.082 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.453 11.521 -7.950 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.766 13.822 -7.913 1.00 0.00 C ATOM 0 H THR A 65 -8.634 13.888 -4.993 1.00 0.00 H new ATOM 0 HA THR A 65 -8.347 11.134 -5.805 1.00 0.00 H new ATOM 0 HB THR A 65 -10.045 12.888 -6.506 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.131 11.797 -8.602 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.566 14.065 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.593 14.671 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.854 13.602 -8.468 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.945 13.256 -6.388 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.540 13.396 -6.745 1.00 0.00 C ATOM 1035 C ASP A 66 -3.775 12.171 -6.248 1.00 0.00 C ATOM 1036 O ASP A 66 -3.142 11.448 -7.013 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.985 14.690 -6.121 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.174 15.482 -7.133 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -2.052 15.024 -7.435 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.696 16.524 -7.582 1.00 0.00 O ATOM 0 H ASP A 66 -6.329 14.089 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.425 13.460 -7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.808 15.301 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.360 14.444 -5.262 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.916 11.896 -4.949 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.360 10.718 -4.308 1.00 0.00 C ATOM 1047 C ALA A 67 -3.821 9.427 -4.986 1.00 0.00 C ATOM 1048 O ALA A 67 -2.996 8.541 -5.193 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.732 10.706 -2.829 1.00 0.00 C ATOM 0 H ALA A 67 -4.430 12.501 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.276 10.765 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.311 9.819 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.334 11.599 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.817 10.692 -2.727 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.109 9.284 -5.328 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.568 8.078 -6.016 1.00 0.00 C ATOM 1057 C ARG A 68 -4.737 7.835 -7.277 1.00 0.00 C ATOM 1058 O ARG A 68 -4.208 6.737 -7.452 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.074 8.082 -6.326 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.927 8.045 -5.050 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.350 7.543 -5.350 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.290 7.817 -4.244 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.438 7.110 -3.106 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.700 6.027 -2.864 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.336 7.467 -2.187 1.00 0.00 N ATOM 0 H ARG A 68 -5.836 9.975 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.416 7.248 -5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.323 8.973 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.318 7.222 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.456 7.394 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.974 9.042 -4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.716 8.019 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.321 6.470 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.894 8.632 -4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.007 5.719 -3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.828 5.506 -1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.924 8.286 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.435 6.921 -1.331 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.573 8.848 -8.131 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.713 8.691 -9.296 1.00 0.00 C ATOM 1081 C GLU A 69 -2.250 8.473 -8.893 1.00 0.00 C ATOM 1082 O GLU A 69 -1.572 7.621 -9.462 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.871 9.859 -10.275 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.232 9.785 -10.978 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.313 10.792 -12.116 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -5.707 11.941 -11.829 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.977 10.384 -13.249 1.00 0.00 O ATOM 0 H GLU A 69 -5.014 9.763 -8.039 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.035 7.791 -9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.781 10.805 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.070 9.833 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.391 8.779 -11.366 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.028 9.979 -10.259 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.744 9.193 -7.893 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.368 9.016 -7.442 1.00 0.00 C ATOM 1096 C LEU A 70 -0.115 7.565 -7.016 1.00 0.00 C ATOM 1097 O LEU A 70 0.951 7.013 -7.273 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.038 10.011 -6.321 1.00 0.00 C ATOM 1099 CG LEU A 70 1.463 10.341 -6.265 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.875 11.230 -7.449 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.777 11.083 -4.963 1.00 0.00 C ATOM 0 H LEU A 70 -2.267 9.903 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 70 0.303 9.227 -8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.605 10.929 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.354 9.596 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 70 2.018 9.404 -6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.941 11.449 -7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.666 10.710 -8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.311 12.162 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.841 11.316 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.201 12.008 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.513 10.454 -4.113 1.00 0.00 H new ATOM 1113 N SER A 71 -1.114 6.918 -6.410 1.00 0.00 N ATOM 1114 CA SER A 71 -1.068 5.497 -6.098 1.00 0.00 C ATOM 1115 C SER A 71 -0.663 4.682 -7.330 1.00 0.00 C ATOM 1116 O SER A 71 0.133 3.758 -7.227 1.00 0.00 O ATOM 1117 CB SER A 71 -2.421 4.994 -5.580 1.00 0.00 C ATOM 1118 OG SER A 71 -3.057 5.897 -4.701 1.00 0.00 O ATOM 0 H SER A 71 -1.980 7.373 -6.122 1.00 0.00 H new ATOM 0 HA SER A 71 -0.321 5.363 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.078 4.802 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.275 4.043 -5.068 1.00 0.00 H new ATOM 0 HG SER A 71 -3.290 6.716 -5.186 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.205 5.016 -8.504 1.00 0.00 N ATOM 1125 CA LYS A 72 -0.945 4.288 -9.740 1.00 0.00 C ATOM 1126 C LYS A 72 0.558 4.246 -10.042 1.00 0.00 C ATOM 1127 O LYS A 72 1.085 3.203 -10.412 1.00 0.00 O ATOM 1128 CB LYS A 72 -1.762 4.899 -10.890 1.00 0.00 C ATOM 1129 CG LYS A 72 -2.760 3.930 -11.538 1.00 0.00 C ATOM 1130 CD LYS A 72 -2.121 3.166 -12.704 1.00 0.00 C ATOM 1131 CE LYS A 72 -3.087 2.161 -13.353 1.00 0.00 C ATOM 1132 NZ LYS A 72 -4.358 2.785 -13.780 1.00 0.00 N ATOM 0 H LYS A 72 -1.840 5.805 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.267 3.253 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.306 5.765 -10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.076 5.262 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.120 3.222 -10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.628 4.484 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.782 3.877 -13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.238 2.636 -12.346 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.603 1.704 -14.216 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.300 1.359 -12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.914 2.099 -14.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.900 3.078 -12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.155 3.618 -14.369 1.00 0.00 H new ATOM 1146 N THR A 73 1.270 5.352 -9.827 1.00 0.00 N ATOM 1147 CA THR A 73 2.726 5.393 -9.934 1.00 0.00 C ATOM 1148 C THR A 73 3.421 4.352 -9.036 1.00 0.00 C ATOM 1149 O THR A 73 4.538 3.937 -9.339 1.00 0.00 O ATOM 1150 CB THR A 73 3.197 6.840 -9.691 1.00 0.00 C ATOM 1151 OG1 THR A 73 3.051 7.576 -10.887 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.634 6.966 -9.189 1.00 0.00 C ATOM 0 H THR A 73 0.851 6.247 -9.573 1.00 0.00 H new ATOM 0 HA THR A 73 3.023 5.102 -10.941 1.00 0.00 H new ATOM 0 HB THR A 73 2.569 7.236 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.347 8.499 -10.741 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.878 8.019 -9.046 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.736 6.438 -8.241 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.315 6.532 -9.921 1.00 0.00 H new ATOM 1160 N TYR A 74 2.775 3.908 -7.954 1.00 0.00 N ATOM 1161 CA TYR A 74 3.307 2.929 -7.012 1.00 0.00 C ATOM 1162 C TYR A 74 2.705 1.537 -7.227 1.00 0.00 C ATOM 1163 O TYR A 74 2.954 0.626 -6.433 1.00 0.00 O ATOM 1164 CB TYR A 74 3.017 3.427 -5.593 1.00 0.00 C ATOM 1165 CG TYR A 74 3.822 4.653 -5.205 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.223 4.567 -5.124 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.186 5.894 -5.013 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.993 5.728 -4.943 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.957 7.053 -4.815 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.359 6.976 -4.828 1.00 0.00 C ATOM 1171 OH TYR A 74 6.101 8.117 -4.783 1.00 0.00 O ATOM 0 H TYR A 74 1.840 4.232 -7.705 1.00 0.00 H new ATOM 0 HA TYR A 74 4.381 2.830 -7.171 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.955 3.657 -5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.227 2.625 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.709 3.605 -5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.108 5.956 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.070 5.661 -4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.470 8.003 -4.653 1.00 0.00 H new ATOM 0 HH TYR A 74 5.824 8.657 -4.014 1.00 0.00 H new ATOM 1181 N ILE A 75 1.887 1.373 -8.271 1.00 0.00 N ATOM 1182 CA ILE A 75 1.183 0.131 -8.547 1.00 0.00 C ATOM 1183 C ILE A 75 2.200 -0.957 -8.877 1.00 0.00 C ATOM 1184 O ILE A 75 2.868 -0.915 -9.909 1.00 0.00 O ATOM 1185 CB ILE A 75 0.109 0.350 -9.633 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.119 -0.563 -9.466 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.619 0.292 -11.084 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -0.812 -2.054 -9.444 1.00 0.00 C ATOM 0 H ILE A 75 1.698 2.110 -8.951 1.00 0.00 H new ATOM 0 HA ILE A 75 0.636 -0.209 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.198 1.381 -9.459 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.627 -0.298 -8.539 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.816 -0.362 -10.280 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.213 0.458 -11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.373 1.064 -11.236 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.058 -0.687 -11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.739 -2.615 -9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.334 -2.341 -10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.143 -2.275 -8.613 1.00 0.00 H new ATOM 1200 N ILE A 76 2.327 -1.940 -7.990 1.00 0.00 N ATOM 1201 CA ILE A 76 3.162 -3.094 -8.261 1.00 0.00 C ATOM 1202 C ILE A 76 2.336 -4.177 -8.941 1.00 0.00 C ATOM 1203 O ILE A 76 2.826 -4.786 -9.895 1.00 0.00 O ATOM 1204 CB ILE A 76 3.883 -3.580 -6.996 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.966 -3.575 -5.761 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.104 -2.676 -6.766 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.560 -4.401 -4.627 1.00 0.00 C ATOM 0 H ILE A 76 1.862 -1.956 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 76 3.956 -2.810 -8.952 1.00 0.00 H new ATOM 0 HB ILE A 76 4.192 -4.615 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.811 -2.550 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.988 -3.973 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.634 -3.001 -5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.771 -2.739 -7.626 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.774 -1.645 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.888 -4.377 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.691 -5.432 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.527 -3.986 -4.342 1.00 0.00 H new ATOM 1219 N GLY A 77 1.097 -4.395 -8.481 1.00 0.00 N ATOM 1220 CA GLY A 77 0.269 -5.523 -8.870 1.00 0.00 C ATOM 1221 C GLY A 77 -1.061 -5.510 -8.112 1.00 0.00 C ATOM 1222 O GLY A 77 -1.463 -4.465 -7.601 1.00 0.00 O ATOM 0 H GLY A 77 0.641 -3.773 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.081 -5.489 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.798 -6.454 -8.669 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.746 -6.656 -8.040 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.094 -6.773 -7.488 1.00 0.00 C ATOM 1228 C GLU A 78 -3.140 -7.765 -6.328 1.00 0.00 C ATOM 1229 O GLU A 78 -2.224 -8.557 -6.141 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.098 -7.187 -8.574 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.441 -6.087 -9.583 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.629 -6.539 -10.434 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.776 -6.363 -9.975 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.394 -7.162 -11.493 1.00 0.00 O ATOM 0 H GLU A 78 -1.369 -7.544 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.373 -5.791 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.695 -8.044 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.018 -7.518 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.683 -5.161 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.581 -5.879 -10.219 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.218 -7.724 -5.544 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.449 -8.664 -4.459 1.00 0.00 C ATOM 1243 C LEU A 79 -5.023 -9.962 -5.038 1.00 0.00 C ATOM 1244 O LEU A 79 -5.931 -9.895 -5.865 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.411 -7.991 -3.474 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.815 -8.883 -2.298 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -4.587 -9.433 -1.572 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -6.651 -8.059 -1.315 1.00 0.00 C ATOM 0 H LEU A 79 -4.958 -7.030 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.530 -8.924 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.945 -7.085 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.309 -7.684 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.391 -9.724 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.907 -10.063 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.988 -10.023 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.989 -8.605 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.944 -8.685 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.061 -7.217 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.543 -7.687 -1.819 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.484 -11.127 -4.648 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.891 -12.439 -5.147 1.00 0.00 C ATOM 1262 C HIS A 80 -6.418 -12.579 -5.280 1.00 0.00 C ATOM 1263 O HIS A 80 -7.156 -12.166 -4.382 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.314 -13.521 -4.226 1.00 0.00 C ATOM 1265 CG HIS A 80 -4.145 -14.870 -4.872 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.798 -16.034 -4.532 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.254 -15.167 -5.870 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.331 -17.004 -5.338 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.404 -16.520 -6.180 1.00 0.00 N ATOM 0 H HIS A 80 -3.734 -11.178 -3.959 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.494 -12.558 -6.155 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.345 -13.186 -3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.966 -13.627 -3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.562 -14.479 -6.333 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.658 -18.033 -5.312 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.907 -17.039 -6.904 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.915 -13.168 -6.385 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.339 -13.224 -6.660 1.00 0.00 C ATOM 1279 C PRO A 81 -9.107 -14.057 -5.630 1.00 0.00 C ATOM 1280 O PRO A 81 -10.316 -13.887 -5.515 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.490 -13.744 -8.091 1.00 0.00 C ATOM 1282 CG PRO A 81 -7.188 -14.498 -8.350 1.00 0.00 C ATOM 1283 CD PRO A 81 -6.167 -13.793 -7.464 1.00 0.00 C ATOM 0 HA PRO A 81 -8.785 -12.233 -6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.356 -14.398 -8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.626 -12.927 -8.800 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.280 -15.553 -8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.903 -14.452 -9.401 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.439 -14.503 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.610 -13.048 -8.032 1.00 0.00 H new ATOM 1291 N ASP A 82 -8.419 -14.927 -4.879 1.00 0.00 N ATOM 1292 CA ASP A 82 -8.995 -15.653 -3.752 1.00 0.00 C ATOM 1293 C ASP A 82 -9.726 -14.688 -2.812 1.00 0.00 C ATOM 1294 O ASP A 82 -10.957 -14.662 -2.770 1.00 0.00 O ATOM 1295 CB ASP A 82 -7.884 -16.418 -3.021 1.00 0.00 C ATOM 1296 CG ASP A 82 -8.451 -17.129 -1.800 1.00 0.00 C ATOM 1297 OD1 ASP A 82 -9.165 -18.132 -2.008 1.00 0.00 O ATOM 1298 OD2 ASP A 82 -8.166 -16.647 -0.685 1.00 0.00 O ATOM 0 H ASP A 82 -7.436 -15.145 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.729 -16.372 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.428 -17.144 -3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.097 -15.728 -2.716 1.00 0.00 H new ATOM 1303 N ASP A 83 -8.963 -13.845 -2.108 1.00 0.00 N ATOM 1304 CA ASP A 83 -9.525 -12.805 -1.262 1.00 0.00 C ATOM 1305 C ASP A 83 -10.424 -11.897 -2.090 1.00 0.00 C ATOM 1306 O ASP A 83 -11.572 -11.671 -1.719 1.00 0.00 O ATOM 1307 CB ASP A 83 -8.418 -12.010 -0.569 1.00 0.00 C ATOM 1308 CG ASP A 83 -9.007 -10.836 0.204 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -9.274 -9.807 -0.453 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -9.185 -10.992 1.429 1.00 0.00 O ATOM 0 H ASP A 83 -7.943 -13.870 -2.113 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.128 -13.270 -0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.866 -12.660 0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.706 -11.645 -1.310 1.00 0.00 H new ATOM 1315 N ARG A 84 -9.937 -11.430 -3.244 1.00 0.00 N ATOM 1316 CA ARG A 84 -10.670 -10.459 -4.053 1.00 0.00 C ATOM 1317 C ARG A 84 -12.095 -10.927 -4.382 1.00 0.00 C ATOM 1318 O ARG A 84 -12.994 -10.096 -4.492 1.00 0.00 O ATOM 1319 CB ARG A 84 -9.874 -10.108 -5.321 1.00 0.00 C ATOM 1320 CG ARG A 84 -10.002 -8.629 -5.707 1.00 0.00 C ATOM 1321 CD ARG A 84 -8.884 -8.212 -6.679 1.00 0.00 C ATOM 1322 NE ARG A 84 -9.063 -8.715 -8.051 1.00 0.00 N ATOM 1323 CZ ARG A 84 -9.651 -8.036 -9.051 1.00 0.00 C ATOM 1324 NH1 ARG A 84 -10.443 -6.997 -8.770 1.00 0.00 N ATOM 1325 NH2 ARG A 84 -9.458 -8.407 -10.320 1.00 0.00 N ATOM 0 H ARG A 84 -9.038 -11.710 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.782 -9.552 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.823 -10.349 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.223 -10.727 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.974 -8.453 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.958 -8.011 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.828 -7.124 -6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.929 -8.570 -6.294 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.714 -9.651 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.599 -6.722 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.891 -6.479 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.863 -9.208 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.906 -7.889 -11.076 1.00 0.00 H new ATOM 1339 N SER A 85 -12.301 -12.238 -4.552 1.00 0.00 N ATOM 1340 CA SER A 85 -13.609 -12.826 -4.814 1.00 0.00 C ATOM 1341 C SER A 85 -14.318 -13.281 -3.530 1.00 0.00 C ATOM 1342 O SER A 85 -15.514 -13.559 -3.589 1.00 0.00 O ATOM 1343 CB SER A 85 -13.471 -13.997 -5.795 1.00 0.00 C ATOM 1344 OG SER A 85 -14.689 -14.190 -6.490 1.00 0.00 O ATOM 0 H SER A 85 -11.549 -12.926 -4.510 1.00 0.00 H new ATOM 0 HA SER A 85 -14.231 -12.049 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.666 -13.797 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.202 -14.905 -5.255 1.00 0.00 H new ATOM 0 HG SER A 85 -15.441 -14.027 -5.883 1.00 0.00 H new ATOM 1350 N LYS A 86 -13.609 -13.391 -2.401 1.00 0.00 N ATOM 1351 CA LYS A 86 -14.145 -13.818 -1.112 1.00 0.00 C ATOM 1352 C LYS A 86 -13.832 -12.766 -0.041 1.00 0.00 C ATOM 1353 O LYS A 86 -13.352 -13.095 1.044 1.00 0.00 O ATOM 1354 CB LYS A 86 -13.569 -15.196 -0.737 1.00 0.00 C ATOM 1355 CG LYS A 86 -14.348 -15.816 0.438 1.00 0.00 C ATOM 1356 CD LYS A 86 -13.426 -16.392 1.521 1.00 0.00 C ATOM 1357 CE LYS A 86 -12.680 -17.648 1.041 1.00 0.00 C ATOM 1358 NZ LYS A 86 -12.734 -18.734 2.041 1.00 0.00 N ATOM 0 H LYS A 86 -12.612 -13.177 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.229 -13.914 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.614 -15.861 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.518 -15.094 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.993 -15.058 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.997 -16.606 0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.702 -15.634 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.015 -16.637 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.117 -17.994 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.640 -17.396 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.220 -19.563 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.295 -18.412 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.725 -18.992 2.220 1.00 0.00 H new ATOM 1372 N ILE A 87 -14.130 -11.498 -0.327 1.00 0.00 N ATOM 1373 CA ILE A 87 -13.882 -10.419 0.618 1.00 0.00 C ATOM 1374 C ILE A 87 -14.767 -10.634 1.848 1.00 0.00 C ATOM 1375 O ILE A 87 -15.933 -11.007 1.725 1.00 0.00 O ATOM 1376 CB ILE A 87 -14.118 -9.050 -0.049 1.00 0.00 C ATOM 1377 CG1 ILE A 87 -13.109 -8.883 -1.199 1.00 0.00 C ATOM 1378 CG2 ILE A 87 -13.976 -7.906 0.969 1.00 0.00 C ATOM 1379 CD1 ILE A 87 -13.301 -7.597 -2.001 1.00 0.00 C ATOM 0 H ILE A 87 -14.544 -11.197 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.841 -10.427 0.940 1.00 0.00 H new ATOM 0 HB ILE A 87 -15.134 -9.009 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.099 -8.898 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -13.193 -9.737 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -14.148 -6.952 0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.708 -8.036 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -12.972 -7.918 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -12.555 -7.548 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -14.298 -7.588 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -13.187 -6.737 -1.342 1.00 0.00 H new ATOM 1391 N ALA A 88 -14.208 -10.391 3.035 1.00 0.00 N ATOM 1392 CA ALA A 88 -14.908 -10.451 4.306 1.00 0.00 C ATOM 1393 C ALA A 88 -14.608 -9.166 5.074 1.00 0.00 C ATOM 1394 O ALA A 88 -13.629 -8.483 4.779 1.00 0.00 O ATOM 1395 CB ALA A 88 -14.447 -11.689 5.082 1.00 0.00 C ATOM 0 H ALA A 88 -13.224 -10.140 3.134 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.985 -10.533 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -14.971 -11.736 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -14.668 -12.585 4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -13.373 -11.628 5.260 1.00 0.00 H new ATOM 1401 N LYS A 89 -15.467 -8.837 6.043 1.00 0.00 N ATOM 1402 CA LYS A 89 -15.292 -7.677 6.904 1.00 0.00 C ATOM 1403 C LYS A 89 -13.873 -7.627 7.496 1.00 0.00 C ATOM 1404 O LYS A 89 -13.345 -8.678 7.865 1.00 0.00 O ATOM 1405 CB LYS A 89 -16.368 -7.650 8.005 1.00 0.00 C ATOM 1406 CG LYS A 89 -16.462 -8.891 8.915 1.00 0.00 C ATOM 1407 CD LYS A 89 -17.270 -10.050 8.299 1.00 0.00 C ATOM 1408 CE LYS A 89 -17.907 -10.957 9.362 1.00 0.00 C ATOM 1409 NZ LYS A 89 -16.900 -11.661 10.182 1.00 0.00 N ATOM 0 H LYS A 89 -16.308 -9.376 6.249 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.416 -6.782 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.187 -6.779 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.338 -7.503 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.455 -9.242 9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.920 -8.603 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.052 -9.642 7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.616 -10.646 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.545 -10.358 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.549 -11.690 8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.381 -12.260 10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.307 -12.255 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.303 -10.965 10.672 1.00 0.00 H new ATOM 1423 N PRO A 90 -13.260 -6.434 7.599 1.00 0.00 N ATOM 1424 CA PRO A 90 -11.946 -6.277 8.194 1.00 0.00 C ATOM 1425 C PRO A 90 -12.021 -6.524 9.706 1.00 0.00 C ATOM 1426 O PRO A 90 -13.085 -6.824 10.252 1.00 0.00 O ATOM 1427 CB PRO A 90 -11.517 -4.845 7.850 1.00 0.00 C ATOM 1428 CG PRO A 90 -12.842 -4.090 7.773 1.00 0.00 C ATOM 1429 CD PRO A 90 -13.809 -5.139 7.218 1.00 0.00 C ATOM 0 HA PRO A 90 -11.218 -6.994 7.815 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.860 -4.428 8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -10.975 -4.803 6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.158 -3.729 8.752 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.773 -3.220 7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.809 -5.003 7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.895 -5.055 6.135 1.00 0.00 H new ATOM 1437 N SER A 91 -10.882 -6.410 10.386 1.00 0.00 N ATOM 1438 CA SER A 91 -10.775 -6.578 11.823 1.00 0.00 C ATOM 1439 C SER A 91 -9.574 -5.760 12.274 1.00 0.00 C ATOM 1440 O SER A 91 -8.646 -5.580 11.486 1.00 0.00 O ATOM 1441 CB SER A 91 -10.586 -8.062 12.155 1.00 0.00 C ATOM 1442 OG SER A 91 -10.623 -8.281 13.553 1.00 0.00 O ATOM 0 H SER A 91 -9.992 -6.193 9.938 1.00 0.00 H new ATOM 0 HA SER A 91 -11.676 -6.240 12.336 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.367 -8.648 11.671 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.633 -8.409 11.755 1.00 0.00 H new ATOM 0 HG SER A 91 -10.502 -9.236 13.738 1.00 0.00 H new ATOM 1448 N GLU A 92 -9.596 -5.316 13.534 1.00 0.00 N ATOM 1449 CA GLU A 92 -8.588 -4.446 14.122 1.00 0.00 C ATOM 1450 C GLU A 92 -8.747 -3.023 13.554 1.00 0.00 C ATOM 1451 O GLU A 92 -9.089 -2.838 12.388 1.00 0.00 O ATOM 1452 CB GLU A 92 -7.185 -5.075 13.966 1.00 0.00 C ATOM 1453 CG GLU A 92 -6.353 -5.024 15.252 1.00 0.00 C ATOM 1454 CD GLU A 92 -5.783 -3.639 15.501 1.00 0.00 C ATOM 1455 OE1 GLU A 92 -6.583 -2.790 15.945 1.00 0.00 O ATOM 1456 OE2 GLU A 92 -4.577 -3.461 15.227 1.00 0.00 O ATOM 0 H GLU A 92 -10.340 -5.562 14.187 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.726 -4.346 15.199 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.292 -6.113 13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.647 -4.556 13.173 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.974 -5.319 16.098 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.539 -5.746 15.187 1.00 0.00 H new ATOM 1463 N THR A 93 -8.589 -2.017 14.408 1.00 0.00 N ATOM 1464 CA THR A 93 -8.714 -0.605 14.085 1.00 0.00 C ATOM 1465 C THR A 93 -8.162 0.162 15.275 1.00 0.00 C ATOM 1466 O THR A 93 -8.301 -0.276 16.418 1.00 0.00 O ATOM 1467 CB THR A 93 -10.162 -0.184 13.755 1.00 0.00 C ATOM 1468 OG1 THR A 93 -10.206 1.171 13.332 1.00 0.00 O ATOM 1469 CG2 THR A 93 -11.147 -0.373 14.914 1.00 0.00 C ATOM 0 H THR A 93 -8.360 -2.174 15.389 1.00 0.00 H new ATOM 0 HA THR A 93 -8.153 -0.383 13.177 1.00 0.00 H new ATOM 0 HB THR A 93 -10.478 -0.850 12.952 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.131 1.419 13.126 1.00 0.00 H new ATOM 0 HG21 THR A 93 -12.142 -0.054 14.602 1.00 0.00 H new ATOM 0 HG22 THR A 93 -11.176 -1.425 15.199 1.00 0.00 H new ATOM 0 HG23 THR A 93 -10.825 0.225 15.766 1.00 0.00 H new ATOM 1477 N LEU A 94 -7.564 1.314 14.992 1.00 0.00 N ATOM 1478 CA LEU A 94 -7.077 2.241 15.990 1.00 0.00 C ATOM 1479 C LEU A 94 -7.874 3.536 15.823 1.00 0.00 C ATOM 1480 O LEU A 94 -8.829 3.505 15.010 1.00 0.00 O ATOM 1481 CB LEU A 94 -5.562 2.425 15.785 1.00 0.00 C ATOM 1482 CG LEU A 94 -4.788 2.487 17.114 1.00 0.00 C ATOM 1483 CD1 LEU A 94 -3.922 1.230 17.281 1.00 0.00 C ATOM 1484 CD2 LEU A 94 -3.908 3.738 17.163 1.00 0.00 C ATOM 1485 OXT LEU A 94 -7.527 4.518 16.517 1.00 0.00 O ATOM 0 H LEU A 94 -7.404 1.631 14.036 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.215 1.885 17.011 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.178 1.601 15.183 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.384 3.341 15.222 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.508 2.534 17.931 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.379 1.285 18.225 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.560 0.346 17.280 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.212 1.165 16.457 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.368 3.766 18.109 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.195 3.714 16.339 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.533 4.626 17.076 1.00 0.00 H new TER 1497 LEU A 94 HETATM 1498 CHA HEM A 96 -1.535 13.109 2.666 1.00 0.00 C HETATM 1499 CHB HEM A 96 -0.619 10.257 -1.227 1.00 0.00 C HETATM 1500 CHC HEM A 96 -1.143 6.294 1.609 1.00 0.00 C HETATM 1501 CHD HEM A 96 -2.019 9.139 5.545 1.00 0.00 C HETATM 1502 C1A HEM A 96 -1.303 12.650 1.363 1.00 0.00 C HETATM 1503 C2A HEM A 96 -1.238 13.502 0.195 1.00 0.00 C HETATM 1504 C3A HEM A 96 -0.877 12.711 -0.875 1.00 0.00 C HETATM 1505 C4A HEM A 96 -0.869 11.350 -0.405 1.00 0.00 C HETATM 1506 CMA HEM A 96 -0.512 13.157 -2.274 1.00 0.00 C HETATM 1507 CAA HEM A 96 -1.576 14.974 0.165 1.00 0.00 C HETATM 1508 CBA HEM A 96 -3.055 15.252 0.497 1.00 0.00 C HETATM 1509 CGA HEM A 96 -4.000 14.889 -0.653 1.00 0.00 C HETATM 1510 O1A HEM A 96 -4.056 15.693 -1.608 1.00 0.00 O HETATM 1511 O2A HEM A 96 -4.675 13.836 -0.562 1.00 0.00 O HETATM 1512 C1B HEM A 96 -0.665 8.952 -0.765 1.00 0.00 C HETATM 1513 C2B HEM A 96 -0.427 7.795 -1.597 1.00 0.00 C HETATM 1514 C3B HEM A 96 -0.610 6.709 -0.786 1.00 0.00 C HETATM 1515 C4B HEM A 96 -0.909 7.149 0.548 1.00 0.00 C HETATM 1516 CMB HEM A 96 -0.031 7.773 -3.052 1.00 0.00 C HETATM 1517 CAB HEM A 96 -0.478 5.266 -1.208 1.00 0.00 C HETATM 1518 CBB HEM A 96 -1.200 4.781 -2.233 1.00 0.00 C HETATM 1519 C1C HEM A 96 -1.441 6.728 2.897 1.00 0.00 C HETATM 1520 C2C HEM A 96 -1.769 5.848 3.991 1.00 0.00 C HETATM 1521 C3C HEM A 96 -1.992 6.652 5.079 1.00 0.00 C HETATM 1522 C4C HEM A 96 -1.826 8.034 4.702 1.00 0.00 C HETATM 1523 CMC HEM A 96 -1.862 4.342 3.955 1.00 0.00 C HETATM 1524 CAC HEM A 96 -2.568 6.163 6.389 1.00 0.00 C HETATM 1525 CBC HEM A 96 -1.964 5.155 7.053 1.00 0.00 C HETATM 1526 C1D HEM A 96 -1.920 10.477 5.109 1.00 0.00 C HETATM 1527 C2D HEM A 96 -2.035 11.651 5.951 1.00 0.00 C HETATM 1528 C3D HEM A 96 -1.867 12.760 5.139 1.00 0.00 C HETATM 1529 C4D HEM A 96 -1.683 12.279 3.788 1.00 0.00 C HETATM 1530 CMD HEM A 96 -2.259 11.661 7.445 1.00 0.00 C HETATM 1531 CAD HEM A 96 -1.880 14.233 5.518 1.00 0.00 C HETATM 1532 CBD HEM A 96 -1.559 14.620 6.964 1.00 0.00 C HETATM 1533 CGD HEM A 96 -1.475 16.136 7.083 1.00 0.00 C HETATM 1534 O1D HEM A 96 -0.334 16.645 7.080 1.00 0.00 O HETATM 1535 O2D HEM A 96 -2.557 16.756 7.153 1.00 0.00 O HETATM 1536 NA HEM A 96 -1.135 11.370 0.941 1.00 0.00 N HETATM 1537 NB HEM A 96 -0.931 8.510 0.517 1.00 0.00 N HETATM 1538 NC HEM A 96 -1.509 8.020 3.368 1.00 0.00 N HETATM 1539 ND HEM A 96 -1.685 10.922 3.835 1.00 0.00 N HETATM 1540 FE HEM A 96 -1.320 9.714 2.187 1.00 0.00 FE HETATM 0 HMA1 HEM A 96 0.224 12.472 -2.694 1.00 0.00 H new HETATM 0 HMA2 HEM A 96 -0.093 14.162 -2.238 1.00 0.00 H new HETATM 0 HMA3 HEM A 96 -1.404 13.159 -2.900 1.00 0.00 H new HETATM 0 HMB1 HEM A 96 0.565 6.883 -3.253 1.00 0.00 H new HETATM 0 HMB2 HEM A 96 0.555 8.662 -3.283 1.00 0.00 H new HETATM 0 HMB3 HEM A 96 -0.927 7.758 -3.673 1.00 0.00 H new HETATM 0 HMC1 HEM A 96 -2.170 4.020 2.960 1.00 0.00 H new HETATM 0 HMC2 HEM A 96 -2.595 4.005 4.688 1.00 0.00 H new HETATM 0 HMC3 HEM A 96 -0.889 3.912 4.191 1.00 0.00 H new HETATM 0 HMD1 HEM A 96 -2.830 10.779 7.733 1.00 0.00 H new HETATM 0 HMD2 HEM A 96 -2.812 12.558 7.724 1.00 0.00 H new HETATM 0 HMD3 HEM A 96 -1.297 11.654 7.957 1.00 0.00 H new HETATM 0 HBB1 HEM A 96 -1.095 3.737 -2.528 1.00 0.00 H new HETATM 0 HBB2 HEM A 96 -1.890 5.432 -2.770 1.00 0.00 H new HETATM 0 HBC1 HEM A 96 -2.377 4.800 7.997 1.00 0.00 H new HETATM 0 HBC2 HEM A 96 -1.064 4.696 6.645 1.00 0.00 H new HETATM 0 HBA1 HEM A 96 -3.176 16.307 0.741 1.00 0.00 H new HETATM 0 HBA2 HEM A 96 -3.336 14.685 1.385 1.00 0.00 H new HETATM 0 HAA1 HEM A 96 -1.348 15.375 -0.823 1.00 0.00 H new HETATM 0 HAA2 HEM A 96 -0.943 15.503 0.877 1.00 0.00 H new HETATM 0 HBD1 HEM A 96 -0.615 14.169 7.271 1.00 0.00 H new HETATM 0 HBD2 HEM A 96 -2.329 14.235 7.633 1.00 0.00 H new HETATM 0 HAD1 HEM A 96 -2.868 14.627 5.281 1.00 0.00 H new HETATM 0 HAD2 HEM A 96 -1.169 14.747 4.872 1.00 0.00 H new HETATM 0 HHA HEM A 96 -1.605 14.176 2.818 1.00 0.00 H new HETATM 0 HHB HEM A 96 -0.380 10.432 -2.266 1.00 0.00 H new HETATM 0 HHC HEM A 96 -1.092 5.230 1.428 1.00 0.00 H new HETATM 0 HHD HEM A 96 -2.256 8.955 6.583 1.00 0.00 H new HETATM 0 HAB HEM A 96 0.210 4.610 -0.676 1.00 0.00 H new HETATM 0 HAC HEM A 96 -3.468 6.623 6.796 1.00 0.00 H new